1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol

C10H19F2NO2 — CID 107483842

IUPAC1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol
SMILESOCCN(CC(F)F)CC1(O)CCCC1
InChIInChI=1S/C10H19F2NO2/c11-9(12)7-13(5-6-14)8-10(15)3-1-2-4-10/h9,14-15H,1-8H2
InChIKeyQJLYNVGGIRGVAX-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.85
Rot. Bonds6

About 1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol

1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol (PubChem CID 107483842) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol
PubChem CID107483842
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol
SMILESOCCN(CC(F)F)CC1(O)CCCC1
InChIInChI=1S/C10H19F2NO2/c11-9(12)7-13(5-6-14)8-10(15)3-1-2-4-10/h9,14-15H,1-8H2
InChIKeyQJLYNVGGIRGVAX-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol (CID 107483842) is 1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol is OCCN(CC(F)F)CC1(O)CCCC1.
What is the InChIKey of 1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is QJLYNVGGIRGVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c11-9(12)7-13(5-6-14)8-10(15)3-1-2-4-10/h9,14-15H,1-8H2.
What are the key properties of 1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol?
1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 223.26 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 107483842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).